Geometry & MOs

Info

ID:	402907
PubChem CID:	135057826
Reduced:	NO3H23C29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	291.06226
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	5.54
IP(EA), eV:	-8.53(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3,4-dipropylisoquinoline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations